UCSF

ZINC31983508

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 35 Yes

Popular Name: CR 831; Hydrocinnamamide, alpha-((p-chlorobenzoyl)amino)-4-(2-(diethylamino)ethoxy)-N,N-dipropyl-, oxalate, (S)-; LS-77092; O-(2-Diethylaminoethyl)-N-(p-chlorobenzoyl)-L-tyrosyl-di-n-propylamide oxalate CR 831; Hydrocinnamamide, alpha-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.55 14.75 -43.45 2 6 1 63 503.107 15 ↓
Hi High (pH 8-9.5) 5.55 12.6 -13.26 1 6 0 62 502.099 15 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )